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35452-30-3

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Basic Information
CAS No.: 35452-30-3
Name: 1-Pentanesulfonicsalt
Article Data: 2
Molecular Structure:
Molecular Structure of 35452-30-3 (1-Pentanesulfonicsalt)
Formula: C5H12O3S
Molecular Weight: 152.214
Synonyms: Amylsulfonicacid;Pentanesulfonic acid;n-Pentanesulfonic acid;
Density: 1.174 g/cm3
PSA: 62.75000
LogP: 2.14520
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Specification

The 1-Pentanesulfonic acid is an organic compound with the formula C5H12O3S. The systematic name of this chemical is pentane-1-sulfonic acid. With the CAS registry number 35452-30-3, it is also named as pentanesulfonic acid.

Physical properties about 1-Pentanesulfonic acid are: (1)ACD/LogP: 0.23; (2)ACD/LogD (pH 5.5): -2.96; (3)ACD/LogD (pH 7.4): -3.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 51.75 Å2; (12)Index of Refraction: 1.46; (13)Molar Refractivity: 35.54 cm3; (14)Molar Volume: 129.6 cm3; (15)Polarizability: 14.09×10-24cm3; (16)Surface Tension: 42.5 dyne/cm; (17)Density: 1.174 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)CCCCC
(2)InChI: InChI=1/C5H12O3S/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3,(H,6,7,8)
(3)InChIKey: RJQRCOMHVBLQIH-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C5H12O3S/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3,(H,6,7,8)
(5)Std. InChIKey: RJQRCOMHVBLQIH-UHFFFAOYSA-N